Mol Weight - 173.171
Smiles - OC(c1cc2cnccc2cc1)=O
| Property Name | Property Value |
| Mol Name | Isoquinoline-7-carboxylicacid |
| Molweight | 173.171 |
| Monoisotopic Mass | 173.047679 |
| Clogp | 1.3382 |
| Clogs | -2.44 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 130.72 |
| Relative Psa | 0.28389 |
| Polar Surface Area | 50.19 |
| Druglikeness | -1.5746 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.61538 |
| Molecular Flexibility | 0.24864 |
| Molecular Complexity | 0.64283 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | OC(c1cc2cnccc2cc1)=O |
| InChIKey | InChI=1S/C10H7NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-6H,(H,12,13) |
| InChI | QUFUUBBLCOBJPH-UHFFFAOYSA-N |
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1 — Isoquinoline-7-carboxylicacid | 2 — Isoquinoline-7-carboxylicacid